Molecule

ID:109282

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO
Molecular Mass
121.13658
Exact Mass
121.05276385
Charge
0
InChI
InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
InChIKey
VATYWCRQDJIRAI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8553984
LogD (pH = 7.4)
0.85680425
Log P
0.8568222
Molar Refractivity
37.3424
Polarizability
13.359292
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation